› 7goc

X-ray diffraction
1.56Å resolution

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1318110042

Released:
DOI: 10.2210/pdb7goc/pdb
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PDB entry 7goc coloured by chain, front view.
PDB entry 7goc coloured by chain, side view.
PDB entry 7goc coloured by chain, top view.
Source organism: enterovirus D68
Primary publication:
Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Lithgo RM, Tomlinson CWE, Fairhead M, Winokan M, Thompson W, Wild C, Aschenbrenner JC, Balcomb BH, Marples PG, Chandran AV, Golding M, Koekemoer L, Williams EP, Wang S, Ni X, MacLean E, Giroud C, Godoy AS, Xavier MA, Walsh M, Fearon D, von Delft F
bioRxiv (2024)
PMID: 38746446

Function and Biology Details

Reactions catalysed: 
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
Selective cleavage of Gln-|-Gly bond in the poliovirus polyprotein. In other picornavirus reactions Glu may be substituted for Gln, and Ser or Thr for Gly.
Selective cleavage of Tyr-|-Gly bond in picornavirus polyprotein.
NTP + H(2)O = NDP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-280226 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protease 3C Chains: A, B
Molecule details ›
Chains: A, B
Length: 182 amino acids
Theoretical weight: 20.13 KDa
Source organism: enterovirus D68
Expression system: Escherichia coli
UniProt:
  • Canonical: Q68T42 (Residues: 1548-1729; Coverage: 8%)
Sequence domains: 3C cysteine protease (picornain 3C)

Ligands and Environments

2 bound ligands:
Ligand SW9 1 x SW9
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 42.932Å b: 62.141Å c: 147.773Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.227 0.269
Expression system: Escherichia coli

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